SIMILAR PATTERNS OF AMINO ACIDS FOR 4GKH_I_KANI301_1

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1gt9 KUMAMOLYSIN

(Bacillus
subtilis) 		PF00082
(Peptidase_S8) 		5 ASP 1 268
ASN 1  66
GLU 1  32
ASP 1  38
GLU 1  39
 None
 1.34A 4gkhI-1gt91:
undetectable
4gkhJ-1gt91:
0.0		 4gkhI-1gt91:
24.04
4gkhJ-1gt91:
24.04
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1nd4 AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E

(Klebsiella
pneumoniae) 		PF01636
(APH) 		6 ASP A 157
ASP A 159
ARG A 211
GLU A 230
ASP A 261
GLU A 262
 KAN  A1300 (-3.7A)
KAN  A1300 (-3.2A)
KAN  A1300 (-2.6A)
KAN  A1300 (-4.1A)
KAN  A1300 (-3.8A)
KAN  A1300 (-3.1A)
 0.90A 4gkhI-1nd4A:
31.8
4gkhJ-1nd4A:
31.4		 4gkhI-1nd4A:
33.94
4gkhJ-1nd4A:
33.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1nd4 AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E

(Klebsiella
pneumoniae) 		PF01636
(APH) 		6 ASP A 157
ASP A 159
ASP A 190
ARG A 211
ASP A 261
GLU A 262
 KAN  A1300 (-3.7A)
KAN  A1300 (-3.2A)
KAN  A1300 ( 2.8A)
KAN  A1300 (-2.6A)
KAN  A1300 (-3.8A)
KAN  A1300 (-3.1A)
 0.31A 4gkhI-1nd4A:
31.8
4gkhJ-1nd4A:
31.4		 4gkhI-1nd4A:
33.94
4gkhJ-1nd4A:
33.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1t1e KUMAMOLISIN

(Bacillus sp.
MN-32) 		PF00082
(Peptidase_S8)
PF09286
(Pro-kuma_activ) 		5 ASP A 457
ASN A 255
GLU A 221
ASP A 227
GLU A 228
 None
 1.23A 4gkhI-1t1eA:
1.3
4gkhJ-1t1eA:
1.3		 4gkhI-1t1eA:
19.77
4gkhJ-1t1eA:
19.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2a1l PHOSPHATIDYLINOSITOL
TRANSFER PROTEIN
BETA ISOFORM

(Rattus
norvegicus) 		PF02121
(IP_trans) 		5 GLN A 214
ASP A 153
ASN A 223
GLU A  33
GLU A 150
 None
None
None
PCW  A 501 (-4.0A)
None
 1.45A 4gkhI-2a1lA:
0.9
4gkhJ-2a1lA:
0.9		 4gkhI-2a1lA:
20.53
4gkhJ-2a1lA:
20.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ctt MALTASE-GLUCOAMYLASE

(Homo sapiens) 		PF00088
(Trefoil)
PF01055
(Glyco_hydro_31)
PF16863
(NtCtMGAM_N) 		5 ASP A 443
ASP A 203
ASP A 571
GLU A 182
HIS A 538
 3CU  A1001 (-2.7A)
GOL  A3001 (-2.6A)
3CU  A1001 ( 4.8A)
None
None
 1.48A 4gkhI-3cttA:
0.0
4gkhJ-3cttA:
0.0		 4gkhI-3cttA:
15.32
4gkhJ-3cttA:
15.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nqx SECRETED
METALLOPROTEASE
MCP02

(Pseudoalteromonas
sp. SM9913) 		PF01447
(Peptidase_M4)
PF02868
(Peptidase_M4_C) 		5 ASP A 411
ARG A 413
ASN A 435
GLU A 377
GLU A 369
 None
None
None
CA  A 511 (-2.7A)
ZN  A   1 (-2.3A)
 1.16A 4gkhI-3nqxA:
0.0
4gkhJ-3nqxA:
0.0		 4gkhI-3nqxA:
22.36
4gkhJ-3nqxA:
22.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3top MALTASE-GLUCOAMYLASE
, INTESTINAL

(Homo sapiens) 		PF00088
(Trefoil)
PF01055
(Glyco_hydro_31)
PF16863
(NtCtMGAM_N) 		5 ASP A1420
ASP A1157
ASP A1555
GLU A1136
HIS A1522
 ACR  A   1 (-3.6A)
ACR  A   1 (-2.6A)
None
None
None
 1.40A 4gkhI-3topA:
0.0
4gkhJ-3topA:
2.0		 4gkhI-3topA:
14.57
4gkhJ-3topA:
14.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gua NON-STRUCTURAL
POLYPROTEIN

(Sindbis virus) 		PF01661
(Macro)
PF01707
(Peptidase_C9) 		5 ASP A1343
ASP A1485
ASN A1447
SER A1297
HIS A1329
 None
 1.34A 4gkhI-4guaA:
0.6
4gkhJ-4guaA:
0.2		 4gkhI-4guaA:
19.58
4gkhJ-4guaA:
19.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4h05 AMINOGLYCOSIDE-O-PHO
SPHOTRANSFERASE VIII

(Streptomyces
rimosus) 		PF01636
(APH) 		5 ASP A 153
ASP A 184
ARG A 207
ASP A 264
GLU A 265
 None
 0.66A 4gkhI-4h05A:
29.7
4gkhJ-4h05A:
29.6		 4gkhI-4h05A:
34.03
4gkhJ-4h05A:
34.03